TD7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | PB | sing | 1.61Å | 1.60Å | |
| PB | O2B | doub | 1.48Å | 1.61Å | |
| PB | O3B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.51Å | |
| O3A | PA | sing | 1.61Å | 1.60Å | |
| PA | O1A | doub | 1.48Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.61Å | |
| PA | O7 | sing | 1.61Å | 1.62Å | |
| O7 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | S1 | sing | 1.78Å | 1.75Å | |
| C5 | C4 | doub | 1.32Å | 1.35Å | |
| S1 | C2 | sing | 1.78Å | 1.70Å | |
| C4 | CM4 | sing | 1.51Å | 1.51Å | |
| C4 | N3 | sing | 1.37Å | 1.33Å | |
| N3 | C2 | sing | 1.40Å | 1.30Å | |
| N3 | C7' | sing | 1.46Å | 1.47Å | |
| C2 | C11 | doub | 1.34Å | 1.51Å | |
| OL1 | C11 | sing | 1.37Å | 1.43Å | |
| CLB | C13 | sing | 1.53Å | 1.53Å | |
| CLB | C11 | sing | 1.51Å | 1.51Å | |
| CLC | OL2 | doub | 1.21Å | 1.25Å | |
| CLC | OL3 | sing | 1.34Å | 1.25Å | |
| CLC | C13 | sing | 1.51Å | 1.51Å | |
| C7' | C5' | sing | 1.51Å | 1.52Å | |
| C5' | C6' | sing | 1.38Å | 1.39Å | Aromatic |
| C5' | C4' | doub | 1.40Å | 1.41Å | Aromatic |
| C6' | N1' | doub | 1.33Å | 1.33Å | Aromatic |
| N1' | C2' | sing | 1.32Å | 1.32Å | Aromatic |
| C2' | CM2 | sing | 1.51Å | 1.51Å | |
| C2' | N3' | doub | 1.32Å | 1.32Å | Aromatic |
| N3' | C4' | sing | 1.33Å | 1.33Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.37Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| CM4 | HM41 | sing | 1.09Å | 1.10Å | |
| CM4 | HM42 | sing | 1.09Å | 1.10Å | |
| CM4 | HM43 | sing | 1.09Å | 1.10Å | |
| C7' | H7'1 | sing | 1.09Å | 1.10Å | |
| C7' | H7'2 | sing | 1.09Å | 1.10Å | |
| OL1 | HL1 | sing | 0.97Å | 0.95Å | |
| CLB | HLB1 | sing | 1.09Å | 1.10Å | |
| CLB | HLB2 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| OL3 | HL3 | sing | 0.97Å | 0.95Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| N4' | H4'1 | sing | 0.97Å | 1.00Å | |
| N4' | H4'2 | sing | 0.97Å | 1.00Å | |
| O3B | H3B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 111.8° | 109.4° |
| O1B | PB | O3B | 108.3° | 109.5° |
| O1B | PB | O3A | 108.3° | 109.5° |
| PB | O1B | H1B | 109.5° | 114.0° |
| O2B | PB | O3B | 109.8° | 109.4° |
| O2B | PB | O3A | 107.9° | 109.5° |
| O3B | PB | O3A | 110.8° | 109.5° |
| PB | O3B | H3B | 109.5° | 114.1° |
| PB | O3A | PA | 132.7° | 134.0° |
| O3A | PA | O1A | 108.0° | 109.5° |
| O3A | PA | O2A | 110.3° | 109.5° |
| O3A | PA | O7 | 110.1° | 109.5° |
| O1A | PA | O2A | 111.4° | 109.5° |
| O1A | PA | O7 | 111.0° | 109.5° |
| O2A | PA | O7 | 106.0° | 109.4° |
| PA | O2A | H2A | 109.5° | 114.0° |
| PA | O7 | C7 | 121.8° | 123.0° |
| O7 | C7 | C6 | 113.9° | 109.4° |
| O7 | C7 | H71C | 108.0° | 109.5° |
| O7 | C7 | H72C | 107.0° | 109.4° |
| C7 | C6 | C5 | 104.5° | 109.5° |
| C6 | C7 | H71C | 108.0° | 109.5° |
| C6 | C7 | H72C | 107.0° | 109.5° |
| C7 | C6 | H61C | 111.2° | 109.5° |
| C7 | C6 | H62C | 112.2° | 109.5° |
| C6 | C5 | S1 | 122.7° | 127.6° |
| C6 | C5 | C4 | 129.9° | 127.6° |
| C5 | C6 | H61C | 111.2° | 109.4° |
| C5 | C6 | H62C | 112.2° | 109.4° |
| S1 | C5 | C4 | 106.8° | 104.9° |
| C5 | S1 | C2 | 90.8° | 96.0° |
| C5 | C4 | CM4 | 117.9° | 120.4° |
| C5 | C4 | N3 | 116.1° | 119.2° |
| S1 | C2 | N3 | 111.5° | 103.4° |
| S1 | C2 | C11 | 120.0° | 128.3° |
| CM4 | C4 | N3 | 125.9° | 120.4° |
| C4 | CM4 | HM41 | 109.5° | 109.5° |
| C4 | CM4 | HM42 | 109.5° | 109.4° |
| C4 | CM4 | HM43 | 109.5° | 109.5° |
| C4 | N3 | C2 | 114.3° | 116.6° |
| C4 | N3 | C7' | 122.2° | 121.7° |
| C2 | N3 | C7' | 123.5° | 121.7° |
| N3 | C2 | C11 | 128.5° | 128.3° |
| N3 | C7' | C5' | 111.4° | 109.5° |
| N3 | C7' | H7'1 | 108.9° | 109.5° |
| N3 | C7' | H7'2 | 108.4° | 109.5° |
| C2 | C11 | OL1 | 121.6° | 119.9° |
| C2 | C11 | CLB | 117.7° | 120.0° |
| OL1 | C11 | CLB | 120.7° | 120.0° |
| C11 | OL1 | HL1 | 109.5° | 114.0° |
| C13 | CLB | C11 | 112.0° | 109.5° |
| CLB | C13 | CLC | 108.7° | 109.5° |
| C13 | CLB | HLB1 | 108.6° | 109.5° |
| C13 | CLB | HLB2 | 108.1° | 109.4° |
| CLB | C13 | H131 | 109.8° | 109.4° |
| CLB | C13 | H132 | 109.9° | 109.5° |
| C11 | CLB | HLB1 | 108.6° | 109.5° |
| C11 | CLB | HLB2 | 108.0° | 109.5° |
| OL2 | CLC | OL3 | 122.3° | 120.0° |
| OL2 | CLC | C13 | 118.6° | 120.0° |
| OL3 | CLC | C13 | 119.1° | 120.0° |
| CLC | OL3 | HL3 | 109.5° | 117.0° |
| CLC | C13 | H131 | 109.7° | 109.5° |
| CLC | C13 | H132 | 109.9° | 109.5° |
| C7' | C5' | C6' | 121.2° | 120.8° |
| C7' | C5' | C4' | 122.3° | 120.8° |
| C5' | C7' | H7'1 | 108.8° | 109.4° |
| C5' | C7' | H7'2 | 108.4° | 109.5° |
| C6' | C5' | C4' | 116.5° | 118.3° |
| C5' | C6' | N1' | 120.3° | 119.2° |
| C5' | C6' | H6' | 119.9° | 120.5° |
| C5' | C4' | N3' | 120.0° | 119.0° |
| C5' | C4' | N4' | 121.2° | 120.5° |
| C6' | N1' | C2' | 121.0° | 121.0° |
| N1' | C6' | H6' | 119.9° | 120.4° |
| N1' | C2' | CM2 | 120.0° | 119.1° |
| N1' | C2' | N3' | 121.4° | 121.8° |
| CM2 | C2' | N3' | 118.6° | 119.1° |
| C2' | CM2 | HM21 | 109.5° | 109.4° |
| C2' | CM2 | HM22 | 109.5° | 109.5° |
| C2' | CM2 | HM23 | 109.4° | 109.5° |
| C2' | N3' | C4' | 120.8° | 120.7° |
| N3' | C4' | N4' | 118.8° | 120.5° |
| C4' | N4' | H4'1 | 109.5° | 120.0° |
| C4' | N4' | H4'2 | 109.4° | 120.0° |
| H71C | C7 | H72C | 113.0° | 109.5° |
| H61C | C6 | H62C | 105.7° | 109.5° |
| HM41 | CM4 | HM42 | 109.5° | 109.5° |
| HM41 | CM4 | HM43 | 109.4° | 109.5° |
| HM42 | CM4 | HM43 | 109.5° | 109.4° |
| H7'1 | C7' | H7'2 | 111.0° | 109.5° |
| HLB1 | CLB | HLB2 | 111.5° | 109.5° |
| H131 | C13 | H132 | 108.8° | 109.5° |
| HM21 | CM2 | HM22 | 109.4° | 109.4° |
| HM21 | CM2 | HM23 | 109.5° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.5° |
| H4'1 | N4' | H4'2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 120.3° | 119.9° |
| O1B | PB | O2B | O3A | 118.9° | 120.0° |
| O1B | PB | O3B | O3A | 118.6° | 120.1° |
| O1B | PB | O3A | PA | 99.2° | 75.0° |
| O1B | PB | O3B | H3B | 32.8° | 60.0° |
| O2B | PB | O3B | O3A | 119.0° | 120.0° |
| O2B | PB | O3A | PA | 139.7° | 45.0° |
| O2B | PB | O1B | H1B | 146.7° | 180.0° |
| O2B | PB | O3B | H3B | 155.1° | 60.0° |
| O3B | PB | O3A | PA | 19.5° | 165.0° |
| O3B | PB | O1B | H1B | 92.2° | 60.1° |
| PB | O3A | PA | O1A | 168.0° | 40.0° |
| PB | O3A | PA | O2A | 46.1° | 80.0° |
| PB | O3A | PA | O7 | 70.6° | 160.1° |
| O3A | PB | O1B | H1B | 28.0° | 60.0° |
| O3A | PB | O3B | H3B | 85.8° | 180.0° |
| O3A | PA | O1A | O2A | 121.3° | 120.0° |
| O3A | PA | O1A | O7 | 120.8° | 120.0° |
| O3A | PA | O2A | O7 | 119.2° | 120.0° |
| O3A | PA | O7 | C7 | 57.6° | 174.9° |
| O3A | PA | O2A | H2A | 119.7° | 60.0° |
| O1A | PA | O2A | O7 | 120.8° | 120.0° |
| O1A | PA | O7 | C7 | 61.9° | 54.9° |
| O1A | PA | O2A | H2A | 120.3° | 180.0° |
| O2A | PA | O7 | C7 | 177.0° | 65.1° |
| PA | O7 | C7 | C6 | 167.5° | 180.0° |
| O7 | PA | O2A | H2A | 0.5° | 60.0° |
| PA | O7 | C7 | H71C | 47.5° | 60.0° |
| PA | O7 | C7 | H72C | 74.4° | 60.1° |
| O7 | C7 | C6 | H71C | 120.0° | 120.0° |
| O7 | C7 | C6 | H72C | 118.1° | 119.9° |
| O7 | C7 | C6 | C5 | 179.1° | 180.0° |
| O7 | C7 | H71C | H72C | 118.2° | 120.0° |
| O7 | C7 | C6 | H61C | 60.9° | 60.0° |
| O7 | C7 | C6 | H62C | 57.2° | 60.1° |
| C7 | C6 | C5 | H61C | 120.0° | 120.0° |
| C7 | C6 | C5 | H62C | 121.9° | 120.0° |
| C7 | C6 | C5 | S1 | 55.0° | 84.9° |
| C7 | C6 | C5 | C4 | 114.5° | 94.7° |
| C6 | C7 | H71C | H72C | 118.2° | 120.1° |
| C7 | C6 | H61C | H62C | 122.0° | 120.1° |
| C6 | C5 | S1 | C4 | 171.6° | 179.7° |
| C6 | C5 | S1 | C2 | 177.4° | 180.0° |
| C6 | C5 | C4 | CM4 | 6.4° | 0.0° |
| C6 | C5 | C4 | N3 | 175.7° | 180.0° |
| C5 | C6 | C7 | H71C | 59.1° | 60.0° |
| C5 | C6 | C7 | H72C | 62.8° | 60.0° |
| C5 | C6 | H61C | H62C | 122.0° | 119.9° |
| S1 | C5 | C4 | CM4 | 177.1° | 179.7° |
| S1 | C5 | C4 | N3 | 5.0° | 0.3° |
| C5 | S1 | C2 | N3 | 5.7° | 0.2° |
| C5 | S1 | C2 | C11 | 174.6° | 180.0° |
| S1 | C5 | C6 | H61C | 175.0° | 155.0° |
| S1 | C5 | C6 | H62C | 66.9° | 35.1° |
| C4 | C5 | S1 | C2 | 5.8° | 0.3° |
| C5 | C4 | CM4 | N3 | 177.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.9° | 0.2° |
| C5 | C4 | N3 | C7' | 178.0° | 180.0° |
| C4 | C5 | C6 | H61C | 5.5° | 25.4° |
| C4 | C5 | C6 | H62C | 123.6° | 145.3° |
| C5 | C4 | CM4 | HM41 | 65.8° | 1.8° |
| C5 | C4 | CM4 | HM42 | 54.2° | 118.1° |
| C5 | C4 | CM4 | HM43 | 174.2° | 121.9° |
| S1 | C2 | N3 | C4 | 3.9° | 0.1° |
| S1 | C2 | N3 | C11 | 179.7° | 179.8° |
| S1 | C2 | N3 | C7' | 177.2° | 179.7° |
| S1 | C2 | C11 | OL1 | 142.7° | 173.2° |
| S1 | C2 | C11 | CLB | 38.2° | 6.8° |
| CM4 | C4 | N3 | C2 | 178.6° | 179.9° |
| CM4 | C4 | N3 | C7' | 0.3° | 0.0° |
| C4 | CM4 | HM41 | HM42 | 120.0° | 119.9° |
| C4 | CM4 | HM41 | HM43 | 120.0° | 120.1° |
| C4 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| C4 | N3 | C2 | C7' | 178.9° | 179.8° |
| C4 | N3 | C2 | C11 | 176.4° | 179.9° |
| C4 | N3 | C7' | C5' | 77.5° | 68.7° |
| N3 | C4 | CM4 | HM41 | 116.5° | 178.2° |
| N3 | C4 | CM4 | HM42 | 123.4° | 61.9° |
| N3 | C4 | CM4 | HM43 | 3.4° | 58.1° |
| C4 | N3 | C7' | H7'1 | 42.5° | 171.3° |
| C4 | N3 | C7' | H7'2 | 163.3° | 51.3° |
| N3 | C2 | C11 | OL1 | 37.6° | 6.5° |
| N3 | C2 | C11 | CLB | 141.4° | 173.5° |
| C2 | N3 | C7' | C5' | 103.6° | 111.5° |
| C2 | N3 | C7' | H7'1 | 136.4° | 8.5° |
| C2 | N3 | C7' | H7'2 | 15.5° | 128.5° |
| C7' | N3 | C2 | C11 | 2.5° | 0.1° |
| N3 | C7' | C5' | H7'1 | 120.0° | 120.1° |
| N3 | C7' | C5' | H7'2 | 119.2° | 120.0° |
| N3 | C7' | C5' | C6' | 110.3° | 118.7° |
| N3 | C7' | C5' | C4' | 70.5° | 60.9° |
| N3 | C7' | H7'1 | H7'2 | 119.2° | 120.0° |
| C2 | C11 | OL1 | CLB | 179.0° | 180.0° |
| C2 | C11 | CLB | C13 | 141.5° | 95.0° |
| C2 | C11 | OL1 | HL1 | 153.9° | 175.0° |
| C2 | C11 | CLB | HLB1 | 98.5° | 25.0° |
| C2 | C11 | CLB | HLB2 | 22.6° | 145.0° |
| OL1 | C11 | CLB | C13 | 39.4° | 85.0° |
| OL1 | C11 | CLB | HLB1 | 80.6° | 155.0° |
| OL1 | C11 | CLB | HLB2 | 158.4° | 35.0° |
| C13 | CLB | C11 | HLB1 | 120.0° | 120.0° |
| C13 | CLB | C11 | HLB2 | 118.9° | 120.0° |
| CLB | C13 | CLC | OL2 | 123.7° | 0.0° |
| CLB | C13 | CLC | OL3 | 56.3° | 180.0° |
| CLB | C13 | CLC | H131 | 120.0° | 120.0° |
| CLB | C13 | CLC | H132 | 120.3° | 120.0° |
| C13 | CLB | HLB1 | HLB2 | 119.0° | 120.0° |
| CLB | C13 | H131 | H132 | 120.3° | 120.0° |
| C11 | CLB | C13 | CLC | 116.7° | 180.0° |
| CLB | C11 | OL1 | HL1 | 25.1° | 5.0° |
| C11 | CLB | HLB1 | HLB2 | 118.9° | 120.0° |
| C11 | CLB | C13 | H131 | 3.3° | 60.0° |
| C11 | CLB | C13 | H132 | 123.0° | 60.0° |
| OL2 | CLC | OL3 | C13 | 180.0° | 180.0° |
| OL2 | CLC | C13 | H131 | 3.7° | 120.0° |
| OL2 | CLC | C13 | H132 | 116.0° | 120.0° |
| OL2 | CLC | OL3 | HL3 | 0.0° | 0.0° |
| OL3 | CLC | C13 | H131 | 176.3° | 60.0° |
| OL3 | CLC | C13 | H132 | 64.0° | 60.0° |
| CLC | C13 | CLB | HLB1 | 3.3° | 60.0° |
| CLC | C13 | CLB | HLB2 | 124.4° | 60.0° |
| CLC | C13 | H131 | H132 | 120.3° | 120.0° |
| C13 | CLC | OL3 | HL3 | 180.0° | 180.0° |
| C7' | C5' | C6' | C4' | 179.3° | 179.6° |
| C7' | C5' | C6' | N1' | 179.9° | 180.0° |
| C7' | C5' | C4' | N3' | 179.0° | 179.8° |
| C7' | C5' | C4' | N4' | 1.9° | 0.0° |
| C5' | C7' | H7'1 | H7'2 | 119.2° | 120.0° |
| C7' | C5' | C6' | H6' | 0.1° | 0.1° |
| C5' | C6' | N1' | H6' | 180.0° | 179.9° |
| C5' | C6' | N1' | C2' | 1.1° | 0.1° |
| C6' | C5' | C4' | N3' | 0.2° | 0.6° |
| C6' | C5' | C4' | N4' | 177.4° | 179.7° |
| C6' | C5' | C7' | H7'1 | 9.8° | 121.2° |
| C6' | C5' | C7' | H7'2 | 130.5° | 1.3° |
| C4' | C5' | C6' | N1' | 0.8° | 0.3° |
| C5' | C4' | N3' | C2' | 1.0° | 0.6° |
| C5' | C4' | N3' | N4' | 177.3° | 179.7° |
| C4' | C5' | C7' | H7'1 | 169.5° | 59.1° |
| C4' | C5' | C7' | H7'2 | 48.7° | 179.1° |
| C4' | C5' | C6' | H6' | 179.2° | 179.7° |
| C5' | C4' | N4' | H4'1 | 43.6° | 6.3° |
| C5' | C4' | N4' | H4'2 | 76.4° | 173.6° |
| C6' | N1' | C2' | CM2 | 178.2° | 180.0° |
| C6' | N1' | C2' | N3' | 0.3° | 0.0° |
| N1' | C2' | CM2 | N3' | 178.6° | 180.0° |
| N1' | C2' | N3' | C4' | 0.8° | 0.3° |
| C2' | N1' | C6' | H6' | 178.9° | 180.0° |
| N1' | C2' | CM2 | HM21 | 133.2° | 90.0° |
| N1' | C2' | CM2 | HM22 | 13.2° | 150.0° |
| N1' | C2' | CM2 | HM23 | 106.8° | 30.0° |
| CM2 | C2' | N3' | C4' | 179.3° | 179.7° |
| C2' | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| C2' | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| C2' | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| C2' | N3' | C4' | N4' | 178.3° | 179.7° |
| N3' | C2' | CM2 | HM21 | 48.2° | 90.0° |
| N3' | C2' | CM2 | HM22 | 168.2° | 30.0° |
| N3' | C2' | CM2 | HM23 | 71.8° | 150.0° |
| N3' | C4' | N4' | H4'1 | 133.6° | 173.4° |
| N3' | C4' | N4' | H4'2 | 106.4° | 6.6° |
| C4' | N4' | H4'1 | H4'2 | 120.0° | 180.0° |
| H71C | C7 | C6 | H61C | 179.2° | 180.0° |
| H71C | C7 | C6 | H62C | 62.7° | 59.9° |
| H72C | C7 | C6 | H61C | 57.2° | 60.0° |
| H72C | C7 | C6 | H62C | 175.3° | NaN° |
| HM41 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| HLB1 | CLB | C13 | H131 | 123.3° | 60.0° |
| HLB1 | CLB | C13 | H132 | 117.0° | NaN° |
| HLB2 | CLB | C13 | H131 | 115.6° | 180.0° |
| HLB2 | CLB | C13 | H132 | 4.0° | 60.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
